![3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide structure](/static/products/849/849066-33-7.png)
3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide
TL;DR: 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide (CAS 849066-33-7) is a chemical compound with molecular formula C20H18BrCl2F3N2S and molecular weight 523.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide
Also Known As: 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide, 3-tert-butyl-2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-4-(4-chlorophenyl)-1,3-thiazol-3-ium bromide, 3-tert-butyl-4-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide, 3-tert-butyl-4-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine;bromide, 4-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-tert-butyl-1,3-thiazol-2-amine Bromide
| Molecular Formula | C20H18BrCl2F3N2S |
|---|---|
| Molecular Weight | 523.97 g/mol |
| LogP | 4.5308 |
| Topological Polar Surface Area | 15.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 523.97034 |
| Heavy Atoms | 29 |
| Complexity | 996.4414 |
Chemical Identifiers
| CAS Number | 849066-33-7 |
|---|---|
| SMILES | CC(C)(C)[N+]1=C(SC=C1C2=CC=C(C=C2)Cl)NC3=C(C=CC(=C3)C(F)(F)F)Cl.[Br-] |
Product Overview
3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide (CAS 849066-33-7), with molecular formula C20H18BrCl2F3N2S and molecular weight 523.97 g/mol. IUPAC: 3-tert-butyl-4-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium-2-amine bromide.
Chemical Property Profile of 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide
Property Insights of 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide
The XLogP value of 4.5308 indicates that 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.91 Ų, 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide?
The CAS number of 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide is 849066-33-7.
What is the molecular formula of 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide?
The molecular formula of 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide is C20H18BrCl2F3N2S.
What is the molecular weight of 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide?
The molecular weight of 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide is 523.97 g/mol.
Where can I buy 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide?
You can request a quote for 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-butyl)-4-(4-chlorophenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-3-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.